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72955-86-3 | 2-(2-(Methylthio)phenoxy)ethanamine
CAS No: 72955-86-3 Catalog No: AG003G8P MDL No:MFCD17171366
Product Description
Catalog Number:
AG003G8P
Chemical Name:
2-(2-(Methylthio)phenoxy)ethanamine
CAS Number:
72955-86-3
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD17171366
IUPAC Name:
2-(2-methylsulfanylphenoxy)ethanamine
InChI:
InChI=1S/C9H13NOS/c1-12-9-5-3-2-4-8(9)11-7-6-10/h2-5H,6-7,10H2,1H3
InChI Key:
IKIYPTDCNNXUJN-UHFFFAOYSA-N
SMILES:
NCCOc1ccccc1SC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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